pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.27999973297119	QSARToolbox	0	-1	[NH3+]CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	mol37224	NCC(=O)NC(Cc1ccccc1)C(=O)O
3.73000001907349	QSARToolbox	1	0	[NH3+]CC(=O)N[C@H](Cc1ccccc1)C(=O)O	[NH3+]CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	mol37224	NCC(=O)NC(Cc1ccccc1)C(=O)O